Geometry & MOs

Info

ID:	136882
PubChem CID:	52118434
Reduced:	N4O5C20H22 (1)
Stoich.:	A4B5C20D22 (1)
Weight, g/mol:	464.169585
ΔH_f, kcal/mol:	-150.83
Dipole, Da:	5.87
IP(EA), eV:	-9.35(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[2-[3-[(4-methoxyphenyl)methylcarbamoyl]-6-oxopyridazin-1-yl]acetyl]amino]benzoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=CC=C1NC(=O)CN2C(=O)C=CC(=N2)C(=O)N3CCCC3

DOS

IR

Vibrations